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Alternaric acid

  • Formula: C21H30O8

  • Molecular weight: 410.50

  • Smiles: CCC(C)C(C(C=CCC(=C)CCC(=O)C1C(=O)CC(OC1=O)C)(C(=O)O)O)O

  • Type: Alternaria toxin

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Alternaric acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Alternaric acid

  • First synonym: Alternaric acid

  • Synonyms:

Identifiers / External links

Structure

  • Smiles: CCC(C)C(C(C=CCC(=C)CCC(=O)C1C(=O)CC(OC1=O)C)(C(=O)O)O)O

  • Isomeric smiles: CC[C@H](C)[C@H]([C@@](/C=C/CC(=C)CCC(=O)C1C(=O)C[C@H](OC1=O)C)(C(=O)O)O)O

  • Inchi: InChI=1S/C21H30O8/c1-5-13(3)18(24)21(28,20(26)27)10-6-7-12(2)8-9-15(22)17-16(23)11-14(4)29-19(17)25/h6,10,13-14,17-18,24,28H,2,5,7-9,11H2,1,3-4H3,(H,26,27)/b10-6+/t13-,14+,17?,18+,21-/m0/s1

  • Inchikey: OFVHHCDOMZQVQV-ZICDYRIUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H30O8

  • Molecular weight: 410.50

  • Monoisotopic mass: 410.19406791

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